Chemical Properties of Butane, 1-(ethenyloxy)- (CAS 111-34-2)

InChI

InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3

InChI Key

UZKWTJUDCOPSNM-UHFFFAOYSA-N

Formula

C6H12O

SMILES

C=COCCCC

Molecular Weight¹

100.16

CAS

111-34-2

Other Names

• 1-(ETHYNYLOXY)BUTANE
• 1-(Vinyloxy)-butane
• 1-(ethenyloxy)butane
• 1-(vinyloxy)butane
• 1-Butoxyethylene
• 1-vinyloxybutane
• BVE
• Butoxyethylene
• Ethenyl n-butyl ether
• Ether, butyl vinyl
• NSC 8264
• Vinyl butyl ether
• Vinyl n-butyl ether
• butoxyethene
• butyl vinyl ether
• n-Butyl vinyl ether
• n-C4H9OCH=CH2

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ : Gas thermal conductivity (W/m×K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3580		ChemSep v8.3 pure component data
ΔcH°liquid	[-3860.20; -3857.00]	kJ/mol
ΔcH°liquid	-3860.20 ± 1.10	kJ/mol	NIST
ΔcH°liquid	-3857.00 ± 0.80	kJ/mol	NIST
μ	1.25	debye	ChemSep v8.3 pure component data
ΔfG°	-36.20	kJ/mol	ChemSep v8.3 pure component data
ΔfH°gas	[-183.00; -179.20]	kJ/mol
ΔfH°gas	-183.00	kJ/mol	ChemSep v8.3 pure component data
ΔfH°gas	-179.20 ± 1.20	kJ/mol	NIST
ΔfH°gas	-182.40	kJ/mol	NIST
ΔfH°liquid	[-219.00; -215.80]	kJ/mol
ΔfH°liquid	-215.80 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-219.00 ± 0.80	kJ/mol	NIST
ΔfusH°	11.20	kJ/mol	Joback Calculated Property
ΔvapH°	[34.00; 36.70]	kJ/mol
ΔvapH°	36.24	kJ/mol	NIST
ΔvapH°	36.59 ± 0.23	kJ/mol	NIST
ΔvapH°	36.60	kJ/mol	NIST
ΔvapH°	36.70 ± 0.20	kJ/mol	NIST
ΔvapH°	36.50	kJ/mol	NIST
ΔvapH°	Outlier 34.00 ± 3.00	kJ/mol	NIST
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-1.89		Relay (1.0) Calculated Property
logPoct/wat	1.947		Crippen Calculated Property
McVol	96.970	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
NFPA Safety	2		KDB
Pc	[3200.00; 3200.00]	kPa
Pc	3200.00	kPa	ChemSep v8.3 pure component data
Pc	3200.00 ± 250.00	kPa	NIST
Ptriple	1.35e-04	kPa	ChemSep v8.3 pure component data
ρc	261.11 ± 12.02	kg/m3	NIST
Inp	[671.00; 695.00]
Inp	695.00		NIST
Inp	671.00		NIST
Inp	679.00		NIST
Inp	687.00		NIST
Inp	695.00		NIST
I	858.00		NIST
Tboil	[366.00; 367.13]	K
Tboil	367.13	K	ChemSep v8.3 pure component data
Tboil	367.00	K	NIST
Tboil	366.00	K	NIST
Tboil	367.10	K	NIST
Tc	[540.50; 540.50]	K
Tc	540.50	K	ChemSep v8.3 pure component data
Tc	540.50 ± 2.00	K	NIST
Tfus	181.15	K	ChemSep v8.3 pure component data
Ttriple	181.15	K	ChemSep v8.3 pure component data
UQi	4.19		ChemSep v8.3 pure component data
URi	4.74		ChemSep v8.3 pure component data
Vc	0.384	m3/kmol	ChemSep v8.3 pure component data
Zc	0.2730000		ChemSep v8.3 pure component data
Zra	0.27		ChemSep v8.3 pure component data

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	231.80	J/mol×K	298.15	NIST
ΔvapH	[29.60; 36.10]	kJ/mol	[318.50; 367.10]
ΔvapH	36.10	kJ/mol	318.50	NIST
ΔvapH	35.20 ± 0.20	kJ/mol	357.00	NIST
ΔvapH	32.50 ± 0.20	kJ/mol	357.00	NIST
ΔvapH	29.60 ± 0.20	kJ/mol	357.00	NIST
ΔvapH	31.58	kJ/mol	367.10	NIST
ρl	[758.80; 780.20]	kg/m3	[298.15; 313.15]
ρl	780.20	kg/m3	298.15	Densities, Viscosities, and Sound Speed of Binary Mixtures of Hexyl Acetate with Tetrahydrofuran, 1,4-Dioxane, Anisole, and Butyl Vinyl Ether
ρl	769.00	kg/m3	303.15	Density, viscosity, and speed of sound of binary liquid mixtures of vinyl acetate with butyl vinyl ether, diisopropyl ether, anisole and dibutyl ether
ρl	774.10	kg/m3	303.15	Densities, Viscosities, and Sound Speed of Binary Mixtures of Hexyl Acetate with Tetrahydrofuran, 1,4-Dioxane, Anisole, and Butyl Vinyl Ether
ρl	763.90	kg/m3	308.15	Density, viscosity, and speed of sound of binary liquid mixtures of vinyl acetate with butyl vinyl ether, diisopropyl ether, anisole and dibutyl ether
ρl	768.20	kg/m3	308.15	Densities, Viscosities, and Sound Speed of Binary Mixtures of Hexyl Acetate with Tetrahydrofuran, 1,4-Dioxane, Anisole, and Butyl Vinyl Ether
ρl	758.80	kg/m3	313.15	Density, viscosity, and speed of sound of binary liquid mixtures of vinyl acetate with butyl vinyl ether, diisopropyl ether, anisole and dibutyl ether
ρl	763.30	kg/m3	313.15	Densities, Viscosities, and Sound Speed of Binary Mixtures of Hexyl Acetate with Tetrahydrofuran, 1,4-Dioxane, Anisole, and Butyl Vinyl Ether

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.30; 357.24]	J/mol×K	[273.00; 1500.00]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.02710e+01
Coefficient B			-4.40110e+02
Coefficient C			5.62324e+00
Coefficient D			5.44670e-04
Coefficient E			-2.16660e-07
Comment			ChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.			273.00
Temperature range, max.			1500.00
Cp,gas	133.30	J/mol×K	273.00	Calculated Property
Cp,gas	184.10	J/mol×K	409.33	Calculated Property
Cp,gas	226.20	J/mol×K	545.67	Calculated Property
Cp,gas	260.57	J/mol×K	682.00	Calculated Property
Cp,gas	288.61	J/mol×K	818.33	Calculated Property
Cp,gas	311.26	J/mol×K	954.67	Calculated Property
Cp,gas	329.11	J/mol×K	1091.00	Calculated Property
Cp,gas	342.54	J/mol×K	1227.33	Calculated Property
Cp,gas	351.83	J/mol×K	1363.67	Calculated Property
Cp,gas	357.24	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[199.07; 231.39]	J/mol×K	[225.00; 366.97]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.79060e+02
Coefficient B			2.94150e+02
Coefficient C			-2.44376e+00
Coefficient D			2.32930e-02
Coefficient E			-2.18920e-05
Comment			ChemSep eq 16, LiquidHeatCapacityCp
Temperature range, min.			225.00
Temperature range, max.			366.97
Cp,liquid	199.07	J/mol×K	225.00	Calculated Property
Cp,liquid	201.64	J/mol×K	240.77	Calculated Property
Cp,liquid	204.54	J/mol×K	256.55	Calculated Property
Cp,liquid	207.74	J/mol×K	272.32	Calculated Property
Cp,liquid	211.22	J/mol×K	288.10	Calculated Property
Cp,liquid	214.96	J/mol×K	303.87	Calculated Property
Cp,liquid	218.91	J/mol×K	319.65	Calculated Property
Cp,liquid	223.01	J/mol×K	335.42	Calculated Property
Cp,liquid	227.20	J/mol×K	351.20	Calculated Property
Cp,liquid	231.39	J/mol×K	366.97	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045244; 0.0001376]	Pa×s	[181.15; 440.00]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.39730e+01
Coefficient B			1.13910e+03
Coefficient C			4.47270e-01
Coefficient D			-1.18610e-06
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, LiquidViscosity
Temperature range, min.			181.15
Temperature range, max.			440.00
η	0.0045244	Pa×s	181.15	Calculated Property
η	0.0020147	Pa×s	209.91	Calculated Property
η	0.0010927	Pa×s	238.67	Calculated Property
η	0.0006764	Pa×s	267.43	Calculated Property
η	0.0004593	Pa×s	296.19	Calculated Property
η	0.0003335	Pa×s	324.96	Calculated Property
η	0.0002545	Pa×s	353.72	Calculated Property
η	0.0002017	Pa×s	382.48	Calculated Property
η	0.0001647	Pa×s	411.24	Calculated Property
η	0.0001376	Pa×s	440.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[44.02; 8.05]	kJ/mol	[181.15; 536.00]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			5.98570e+01
Coefficient B			1.40540e+00
Coefficient C			-2.91120e+00
Coefficient D			3.35850e+00
Coefficient E			-1.43780e+00
Critical temperature, Tc (K)			5.40500e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			181.15
Temperature range, max.			536.00
ΔvapH	44.02	kJ/mol	181.15	Calculated Property
ΔvapH	41.93	kJ/mol	220.58	Calculated Property
ΔvapH	39.80	kJ/mol	260.01	Calculated Property
ΔvapH	37.51	kJ/mol	299.43	Calculated Property
ΔvapH	34.94	kJ/mol	338.86	Calculated Property
ΔvapH	32.01	kJ/mol	378.29	Calculated Property
ΔvapH	28.62	kJ/mol	417.72	Calculated Property
ΔvapH	24.60	kJ/mol	457.14	Calculated Property
ΔvapH	19.32	kJ/mol	496.57	Calculated Property
ΔvapH	8.05	kJ/mol	536.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[274.58; 389.11]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54615e+01
Coefficient B			-3.51136e+03
Coefficient C			-4.31680e+01
Temperature range, min.			274.58
Temperature range, max.			389.11
Pvap	1.33	kPa	274.58	Calculated Property
Pvap	2.94	kPa	287.31	Calculated Property
Pvap	6.00	kPa	300.03	Calculated Property
Pvap	11.43	kPa	312.76	Calculated Property
Pvap	20.57	kPa	325.48	Calculated Property
Pvap	35.17	kPa	338.21	Calculated Property
Pvap	57.53	kPa	350.93	Calculated Property
Pvap	90.49	kPa	363.66	Calculated Property
Pvap	137.51	kPa	376.38	Calculated Property
Pvap	202.62	kPa	389.11	Calculated Property
Pvap	[1.34e-04; 3013.00]	kPa	[181.15; 536.00]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			7.35731e+01
Coefficient B			-6.83553e+03
Coefficient C			-8.64103e+00
Coefficient D			5.19261e-06
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, VaporPressure
Temperature range, min.			181.15
Temperature range, max.			536.00
Pvap	1.34e-04	kPa	181.15	Calculated Property
Pvap	0.02	kPa	220.58	Calculated Property
Pvap	0.66	kPa	260.01	Calculated Property
Pvap	6.96	kPa	299.43	Calculated Property
Pvap	38.79	kPa	338.86	Calculated Property
Pvap	142.08	kPa	378.29	Calculated Property
Pvap	390.81	kPa	417.72	Calculated Property
Pvap	879.46	kPa	457.14	Calculated Property
Pvap	1714.60	kPa	496.57	Calculated Property
Pvap	3013.00	kPa	536.00	Calculated Property
Pvap	[1.31e-04; 3086.33]	kPa	[181.15; 536.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			8.18610e+01
Coefficient B			-7.10617e+03
Coefficient C			-9.96430e+00
Coefficient D			7.13053e-06
Coefficient E			0.00000e+00
Temperature range, min.			181.15
Temperature range, max.			536.00
Pvap	1.31e-04	kPa	181.15	Calculated Property
Pvap	0.02	kPa	220.58	Calculated Property
Pvap	0.67	kPa	260.01	Calculated Property
Pvap	7.05	kPa	299.43	Calculated Property
Pvap	38.90	kPa	338.86	Calculated Property
Pvap	141.40	kPa	378.29	Calculated Property
Pvap	387.84	kPa	417.72	Calculated Property
Pvap	875.73	kPa	457.14	Calculated Property
Pvap	1725.20	kPa	496.57	Calculated Property
Pvap	3086.33	kPa	536.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[879.46; 448.44]	kg/m3	[181.15; 517.32]	ChemSep v8.3 pure component data
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			5.12834e+01
Coefficient B			2.24430e-01
Coefficient C			5.40500e+02
Coefficient D			2.52690e-01
Comment			ChemSep eq 105, LiquidDensity
Temperature range, min.			181.15
Temperature range, max.			517.32
ρl	879.46	kg/m3	181.15	Calculated Property
ρl	847.63	kg/m3	218.50	Calculated Property
ρl	814.22	kg/m3	255.85	Calculated Property
ρl	778.88	kg/m3	293.21	Calculated Property
ρl	741.11	kg/m3	330.56	Calculated Property
ρl	700.17	kg/m3	367.91	Calculated Property
ρl	654.84	kg/m3	405.26	Calculated Property
ρl	602.94	kg/m3	442.62	Calculated Property
ρl	539.62	kg/m3	479.97	Calculated Property
ρl	448.44	kg/m3	517.32	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 1.08e-06]	N/m	[181.15; 534.94]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-1.01130e-02
Coefficient B			6.19450e+01
Coefficient C			-3.42610e+00
Coefficient D			1.29470e-03
Coefficient E			-6.90570e-06
Comment			ChemSep eq 16, SurfaceTension, ChemSep Tmax 536 K
Temperature range, min.			181.15
Temperature range, max.			534.94
γ	0.04	N/m	181.15	Calculated Property
γ	0.03	N/m	220.46	Calculated Property
γ	0.03	N/m	259.77	Calculated Property
γ	0.02	N/m	299.08	Calculated Property
γ	0.02	N/m	338.39	Calculated Property
γ	0.01	N/m	377.70	Calculated Property
γ	0.01	N/m	417.01	Calculated Property
γ	0.01	N/m	456.32	Calculated Property
γ	0.00	N/m	495.63	Calculated Property
γ	1.08e-06	N/m	534.94	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.00; 0.08]	W/m×K	[181.15; 1000.00]	ChemSep v8.3 pure component data
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K
Coefficient A			2.40700e-05
Coefficient B			1.18420e+00
Coefficient C			6.50400e+01
Coefficient D			4.01530e+04
Comment			ChemSep eq 102, VaporThermalConductivity
Temperature range, min.			181.15
Temperature range, max.			1000.00
λ	0.00	W/m×K	181.15	Calculated Property
λ	0.01	W/m×K	272.13	Calculated Property
λ	0.02	W/m×K	363.12	Calculated Property
λ	0.03	W/m×K	454.10	Calculated Property
λ	0.03	W/m×K	545.08	Calculated Property
λ	0.04	W/m×K	636.07	Calculated Property
λ	0.05	W/m×K	727.05	Calculated Property
λ	0.06	W/m×K	818.03	Calculated Property
λ	0.07	W/m×K	909.02	Calculated Property
λ	0.08	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.17; 0.09]	W/m×K	[160.80; 420.80]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λ in W/m×K, T in K
Coefficient A			-1.31740e-01
Coefficient B			1.69870e+01
Coefficient C			-1.25130e+00
Coefficient D			-5.02420e-05
Coefficient E			-1.44700e-06
Comment			ChemSep eq 16, LiquidThermalConductivity
Temperature range, min.			160.80
Temperature range, max.			420.80
λ	0.17	W/m×K	160.80	Calculated Property
λ	0.16	W/m×K	189.69	Calculated Property
λ	0.15	W/m×K	218.58	Calculated Property
λ	0.15	W/m×K	247.47	Calculated Property
λ	0.14	W/m×K	276.36	Calculated Property
λ	0.13	W/m×K	305.24	Calculated Property
λ	0.12	W/m×K	334.13	Calculated Property
λ	0.11	W/m×K	363.02	Calculated Property
λ	0.10	W/m×K	391.91	Calculated Property
λ	0.09	W/m×K	420.80	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1-(ethenyloxy)-.

Mixtures

• Acetic acid ethenyl ester + Butane, 1-(ethenyloxy)-
• Butane, 1-(ethenyloxy)- + Acetic acid, hexyl ester

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Density, viscosity, and speed of sound of binary liquid mixtures of vinyl acetate with butyl vinyl ether, diisopropyl ether, anisole and dibutyl ether
• Densities, Viscosities, and Sound Speed of Binary Mixtures of Hexyl Acetate with Tetrahydrofuran, 1,4-Dioxane, Anisole, and Butyl Vinyl Ether
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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